ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate

C18H19NO3 — CID 10946423

IUPACethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1c2c([nH]c(=O)c1-c1ccccc1)CCCC2
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)16-13-10-6-7-11-14(13)19-17(20)15(16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeyRDKFYMZPQUPSLJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.10
Rot. Bonds3

About ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate

ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate (PubChem CID 10946423) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate
PubChem CID10946423
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1c2c([nH]c(=O)c1-c1ccccc1)CCCC2
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)16-13-10-6-7-11-14(13)19-17(20)15(16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeyRDKFYMZPQUPSLJ-UHFFFAOYSA-N
XLogP3.10
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST061321
CID 2864982
6-benzyl-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71655412
Ethyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2763934
Cyclohexylmethyl 4-(2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989793
ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70684577
Ethyl 4,6-diphenyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 90656509
ethyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 127048145
ethyl 5-cyano-4-(4-cyanophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 127048146
1,6-Dihydropyridine-3-carboxylic acid, 5-cyano-2-ethyl-6-oxo-4-phenyl-, methyl ester
CID 624596
Ethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 12733237
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
CID 70690900
ethyl 5-[(4-methylphenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70684583

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate (CID 10946423) is ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate is CCOC(=O)c1c2c([nH]c(=O)c1-c1ccccc1)CCCC2.
What is the InChIKey of ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate?
The InChIKey is RDKFYMZPQUPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-22-18(21)16-13-10-6-7-11-14(13)19-17(20)15(16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate?
ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-phenyl-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 10946423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).